SCHEMBL6132206

SCHEMBL6132206

O=C(OCc1ccccc1)N1CCN(C2CCC(C3CCCCC3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.58
TMEM97 Q5BJF2 7/20 0.58
HRH3 Q9Y5N1 3/20 0.58
HTR1A P08908 2/20 0.58
HRH2 P25021 2/20 0.58
HRH1 P35367 2/20 0.58
ADRA2C P18825 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP2C19 P33261 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6132205 1.00 SIGMAR1 (0.58) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL13636153 0.92 SIGMAR1 (0.65) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL26103660 0.86 SMN1; SMN2 (0.61) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL13146790 0.85 SMN1; SMN2 (0.61) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL24183442 0.85 SMN1; SMN2 (0.67) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL30738370 0.84 SMN1; SMN2 (0.65) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL13661299 0.84 SMN1; SMN2 (0.65) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL14529024 0.83 SMN1; SMN2 (0.68) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL519379 0.82 SMN1; SMN2 (0.60) SIGMAR1TMEM97HRH3HTR1AHRH2
SCHEMBL13361340 0.82 SMN1; SMN2 (0.60) SIGMAR1TMEM97HRH3HTR1AHRH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 SIGMAR1 4096/4885TMEM97 4402/4885HRH3 2597/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.